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T98
T98
Name:5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
Formula:C16 H15 N3 O S
SMILES:N#Cc3ccc(c1ccc2NC(=S)OC(c2c1)(C)C)n3C
InChi:InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
Synonyms:TANAPROGET
Definition date:2005-06-17
Last modified:2021-03-01
Identifier:5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile
SU1
SU1
Name:3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE
Formula:C17 H16 N2 O3
SMILES:O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C
InChi:InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
Synonyms:SU5402
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
PM7
PM7
Name:(5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
Formula:C21 H25 N3 O
SMILES:N2C(=O)C61CCCN1CC23C(C(c5c(C3)c4c(cccc4)n5)(C)C)C6
InChi:InChI=1S/C21H25N3O/c1-19(2)16-11-21-8-5-9-24(21)12-20(16,23-18(21)25)10-14-13-6-3-4-7-15(13)22-17(14)19/h3-4,6-7,16,22H,5,8-12H2,1-2H3,(H,23,25)/t16-,20+,21-/m0/s1
Synonyms:premalbrancheamide E
Definition date:2017-07-17
Last modified:2021-03-01
Release date:2017-08-16
Identifier:(5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
P7M
P7M
Name:N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
Formula:C11 H6 Br Cl2 N O3 S2
SMILES:c1c(Cl)ccc(c1Cl)C(=O)NS(c2sc(cc2)Br)(=O)=O
InChi:InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)
Synonyms:Tasisulam
Definition date:2019-08-05
Last modified:2021-03-01
Release date:2019-11-13
Identifier:N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
XCA
XCA
Name:(8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid
Formula:C27 H42 O3
SMILES:O=C(O)C(C)CCCC(C)C4CCC3C1C(C2(C(=CC1)C=C(O)CC2)C)CCC34C
InChi:InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,16-18,21-24,28H,5-7,9-15H2,1-4H3,(H,29,30)/t17-,18+,21+,22-,23+,24+,26+,27-/m1/s1
Synonyms:(25S)-cholestenoic acid
Definition date:2011-11-18
Last modified:2021-03-01
Identifier:(8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid
SU9
SU9
Name:(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE
Formula:C13 H11 N3 O2
SMILES:O=C/1Nc3ccc(OC)cc3C1=C/c2cncn2
InChi:InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
Synonyms:SU9516
Definition date:2003-05-27
Last modified:2021-03-01
Identifier:(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1,3-dihydro-2H-indol-2-one
SUA
SUA
Name:(4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER
Formula:C13 H14 N2 O3 S3
SMILES:O=S(=O)(N)c1ccc(cc1)NC(=S)OCCc2ccsc2
InChi:InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17)
Synonyms:Carbonic Anhydrase II inhibitor 16923
Definition date:2002-06-06
Last modified:2021-03-01
Identifier:O-[2-(thiophen-3-yl)ethyl] (4-sulfamoylphenyl)carbamothioate
33O
33O
Name:3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
Formula:C26 H54 O14
SMILES:O(CCOCCOCCOCCOCCOCCO)CCOCCOCCOCCOCCOCCOCCO
InChi:InChI=1S/C26H54O14/c27-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-25-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h27-28H,1-26H2
Synonyms:Tridecaethyleneglycol
Definition date:2014-06-10
Last modified:2021-03-01
Release date:2015-07-29
Identifier:3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
P7Y
P7Y
Name:2-[(E)-2-nitroethenyl]phenol
Formula:C8 H7 N O3
SMILES:[O-][N+](=O)/C=C/c1ccccc1O
InChi:InChI=1S/C8H7NO3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H/b6-5+
Synonyms:(E)-1-(2'-hydroxyphenyl)-2-nitroethene
Definition date:2010-10-14
Last modified:2021-03-01
Identifier:2-[(E)-2-nitroethenyl]phenol
ZIO
ZIO
Name:(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE
Formula:C35 H61 N O12
SMILES:O=C4C(C)C(O)C(C)C(OC(=O)C(C(OC1OC(C(O)C(OC)C1)C)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)CC43OC3)C)C
InChi:InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35-/m0/s1
Synonyms:OLEANDOMYCIN
Definition date:2006-07-13
Last modified:2021-03-01
Identifier:(3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside
W33
W33
Name:5-(5-(6-CHLORO-4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)PENTYL)-3-METHYL ISOXAZOLE
Formula:C18 H21 Cl N2 O3
SMILES:Clc2c(OCCCCCc1onc(c1)C)ccc(c2)C3=NCCO3
InChi:InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3
Synonyms:COMPOUND VII
Definition date:1999-07-08
Last modified:2021-03-01
Identifier:5-{5-[2-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methylisoxazole
ZYX
ZYX
Name:4-(2-AMINOETHYL)BENZENESULFONAMIDE
Formula:C8 H12 N2 O2 S
SMILES:O=S(=O)(c1ccc(cc1)CCN)N
InChi:InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
Synonyms:P-AMINOETHYL BENZENESULFONAMIDE
Definition date:2006-10-30
Last modified:2021-03-01
Identifier:4-(2-aminoethyl)benzenesulfonamide
ZIP
ZIP
Name:N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
Formula:C10 H13 N5
SMILES:n2c1c(ncn1)c(nc2)NCC=C(/C)C
InChi:InChI=1S/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)
Synonyms:ISOPENTENYLADENINE
Definition date:2004-06-23
Last modified:2021-03-01
Identifier:N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine
ZZ0
ZZ0
Name:2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID
Formula:C12 H9 Cl N2 O2
SMILES:Clc1ccc(cc1)Nc2ncccc2C(=O)O
InChi:InChI=1S/C12H9ClN2O2/c13-8-3-5-9(6-4-8)15-11-10(12(16)17)2-1-7-14-11/h1-7H,(H,14,15)(H,16,17)
Synonyms:2-[(4-CHLOROPHENYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID
Definition date:2009-06-30
Last modified:2021-03-01
Identifier:2-[(4-chlorophenyl)amino]pyridine-3-carboxylic acid
PMT
PMT
Name:PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER
Formula:C18 H30 N4 O15 P2
SMILES:O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:InChI=1S/C18H30N4O15P2/c1-18(2,8-35-38(29,30)31)14(26)15(27)20-5-3-11(23)37-39(32,33)34-7-9-12(24)13(25)16(36-9)22-6-4-10(19)21-17(22)28/h4,6,9,12-14,16,24-26H,3,5,7-8H2,1-2H3,(H,20,27)(H,32,33)(H2,19,21,28)(H2,29,30,31)/t9-,12-,13-,14+,16-/m1/s1
Synonyms:4'-PHOSPHOPANTOTHENOYL- CYTIDINE-5'-MONOPHOSPHATE
Definition date:2004-08-06
Last modified:2021-03-01
Identifier:5'-O-{(S)-hydroxy[(3-{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]amino}propanoyl)oxy]phosphoryl}cytidine
ANY
ANY
Name:2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-7-YL ESTER
Formula:C29 H42 N2 O9
SMILES:O=CNc1cccc(c1O)C(=O)NC2C(=O)OC(C(OC(=O)C(C)CC)C(C(=O)OC2C)CCCCCCC)C
InChi:InChI=1S/C29H42N2O9/c1-6-8-9-10-11-13-21-25(40-27(35)17(3)7-2)19(5)39-29(37)23(18(4)38-28(21)36)31-26(34)20-14-12-15-22(24(20)33)30-16-32/h12,14-19,21,23,25,33H,6-11,13H2,1-5H3,(H,30,32)(H,31,34)/t17-,18-,19+,21-,23+,25+/m1/s1
Synonyms:ANTIMYCIN
Definition date:2004-06-14
Last modified:2021-03-01
Identifier:(2R,3S,6S,7R,8R)-3-({[3-(formylamino)-2-hydroxyphenyl]carbonyl}amino)-8-heptyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl (2R)-2-methylbutanoate (non-preferred name)
PMV
PMV
Name:(3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID
Formula:C6 H13 O7 P
SMILES:O=P(O)(O)OCCC(O)(C)CC(=O)O
InChi:InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1
Synonyms:PHOSPHOMEVALONATE
Definition date:2007-04-30
Last modified:2021-03-01
Identifier:(3R)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid
OE5
OE5
Name:5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
Formula:C32 H33 N7 O2
SMILES:Cc1ccc(cc1)n2nc(cc2NC(=O)c3ccc(CNC(=O)c4cnn(c4N)c5ccccc5)cc3)C(C)(C)C
InChi:InChI=1S/C32H33N7O2/c1-21-10-16-25(17-11-21)38-28(18-27(37-38)32(2,3)4)36-30(40)23-14-12-22(13-15-23)19-34-31(41)26-20-35-39(29(26)33)24-8-6-5-7-9-24/h5-18,20H,19,33H2,1-4H3,(H,34,41)(H,36,40)
Synonyms:MCP-81
Definition date:2020-02-28
Last modified:2021-03-01
Release date:2020-03-11
Identifier:5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
OE8
OE8
Name:5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
Formula:C34 H37 F N6 O3
SMILES:Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)Nc4ccc(F)cc4)c5ccccc5
InChi:InChI=1S/C34H37FN6O3/c35-26-16-18-27(19-17-26)39-34(44)30(20-13-23-7-3-1-4-8-23)40-32(42)25-14-11-24(12-15-25)21-37-33(43)29-22-38-41(31(29)36)28-9-5-2-6-10-28/h2,5-6,9-12,14-19,22-23,30H,1,3-4,7-8,13,20-21,36H2,(H,37,43)(H,39,44)(H,40,42)/t30-/m0/s1
Synonyms:SR348
Definition date:2020-02-28
Last modified:2021-03-01
Release date:2020-03-11
Identifier:5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
ZZ8
ZZ8
Name:2-(ACETYLAMINO)BENZOIC ACID
Formula:C9 H9 N O3
SMILES:O=C(Nc1ccccc1C(=O)O)C
InChi:InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
Synonyms:N-ACETYLANTHRANILATE
Definition date:2009-05-22
Last modified:2021-03-01
Identifier:2-(acetylamino)benzoic acid
OEB
OEB
Name:5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
Formula:C34 H39 N7 O3
SMILES:Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)NCc4ccncc4)c5ccccc5
InChi:InChI=1S/C34H39N7O3/c35-31-29(23-39-41(31)28-9-5-2-6-10-28)33(43)37-21-25-11-14-27(15-12-25)32(42)40-30(16-13-24-7-3-1-4-8-24)34(44)38-22-26-17-19-36-20-18-26/h2,5-6,9-12,14-15,17-20,23-24,30H,1,3-4,7-8,13,16,21-22,35H2,(H,37,43)(H,38,44)(H,40,42)/t30-/m0/s1
Synonyms:SR92
Definition date:2020-02-28
Last modified:2021-03-01
Release date:2020-03-11
Identifier:5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
XRA
XRA
Name:2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
Formula:C19 H21 N5 O4
SMILES:O=C(N3CCN(c2nc1cc(OC)c(OC)cc1c(n2)N)CC3)c4occc4
InChi:InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
Synonyms:Prazosin
Definition date:2010-09-24
Last modified:2021-03-01
Identifier:[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl](furan-2-yl)methanone
PN4
PN4
Name:(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide
Formula:C14 H28 N2 O4
SMILES:O=C(NCCC(=O)NCCCCC)C(O)C(C)(C)CO
InChi:InChI=1S/C14H28N2O4/c1-4-5-6-8-15-11(18)7-9-16-13(20)12(19)14(2,3)10-17/h12,17,19H,4-10H2,1-3H3,(H,15,18)(H,16,20)/t12-/m0/s1
Synonyms:N-Pentylpantothenamide
Definition date:2012-05-24
Last modified:2021-03-01
Release date:2013-04-10
Identifier:(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide
MRI
MRI
Name:2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
Formula:C15 H10 O7
SMILES:Oc1ccc(c(O)c1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
InChi:InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
Synonyms:Morin
Definition date:2015-06-17
Last modified:2021-03-01
Release date:2015-10-07
Identifier:2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
WZC
WZC
Name:(13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE
Formula:C19 H27 N O5 S
SMILES:O=S(=O)(OC4CCC3C2C(c1cc(OC)c(O)cc1CC2)CCC34C)N
InChi:InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)25-26(20,22)23)4-3-11-9-16(21)17(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1
Synonyms:2-METHOXYESTRADIOL 17-O-SULFAMATE
Definition date:2009-11-23
Last modified:2021-03-01
Identifier:(13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate

244693

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